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Target
Histone-lysine N-methyltransferase EZH2
Ligand
BDBM50594134
Substrate
n/a
Meas. Tech.
ChEMBL_2210982 (CHEMBL5123931)
IC50
<5.0±n/a nM
Citation
 Xia, J; Li, J; Tian, L; Ren, X; Liu, C; Liang, C Targeting Enhancer of Zeste Homolog 2 for the Treatment of Hematological Malignancies and Solid Tumors: Candidate Structure-Activity Relationships Insights and Evolution Prospects. J Med Chem 65:7016-7043 (2022) [PubMed] 
Target
Name:
Histone-lysine N-methyltransferase EZH2
Synonyms:
ENX-1 | EZH2 | EZH2_HUMAN | Enhancer of zeste homolog 2 (EZH2) | Histone-lysine N-methyltransferase EZH2 | KMT6 | Lysine N-methyltransferase 6
Type:
Protein
Mol. Mass.:
85367.84
Organism:
Homo sapiens (Human)
Description:
Q15910
Residue:
746
Sequence:
MGQTGKKSEKGPVCWRKRVKSEYMRLRQLKRFRRADEVKSMFSSNRQKILERTEILNQEWKQRRIQPVHILTSVSSLRGTRECSVTSDLDFPTQVIPLKTLNAVASVPIMYSWSPLQQNFMVEDETVLHNIPYMGDEVLDQDGTFIEELIKNYDGKVHGDRECGFINDEIFVELVNALGQYNDDDDDDDGDDPEEREEKQKDLEDHRDDKESRPPRKFPSDKIFEAISSMFPDKGTAEELKEKYKELTEQQLPGALPPECTPNIDGPNAKSVQREQSLHSFHTLFCRRCFKYDCFLHPFHATPNTYKRKNTETALDNKPCGPQCYQHLEGAKEFAAALTAERIKTPPKRPGGRRRGRLPNNSSRPSTPTINVLESKDTDSDREAGTETGGENNDKEEEEKKDETSSSSEANSRCQTPIKMKPNIEPPENVEWSGAEASMFRVLIGTYYDNFCAIARLIGTKTCRQVYEFRVKESSIIAPAPAEDVDTPPRKKKRKHRLWAAHCRKIQLKKDGSSNHVYNYQPCDHPRQPCDSSCPCVIAQNFCEKFCQCSSECQNRFPGCRCKAQCNTKQCPCYLAVRECDPDLCLTCGAADHWDSKNVSCKNCSIQRGSKKHLLLAPSDVAGWGIFIKDPVQKNEFISEYCGEIISQDEADRRGKVYDKYMCSFLFNLNNDFVVDATRKGNKIRFANHSVNPNCYAKVMMVNGDHRIGIFAKRAIQTGEELFFDYRYSQADALKYVGIEREMEIP
  
Inhibitor
Name:
BDBM50594134
Synonyms:
CHEMBL5187783
Type:
Small organic molecule
Emp. Form.:
C35H48N4O4
Mol. Mass.:
588.78
SMILES:
CCN(C1CCC(CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(OCCOC)cc1 |(-6.66,1.53,;-5.33,.76,;-3.99,1.53,;-3.99,3.07,;-5.33,3.84,;-5.33,5.38,;-3.99,6.15,;-2.66,5.38,;-2.66,3.84,;-3.99,7.69,;-5.33,8.47,;-2.66,8.47,;-2.66,.76,;-1.33,1.53,;-.01,.77,;-.01,-.77,;-1.33,-1.53,;-1.33,-3.07,;.01,-3.84,;-2.66,-3.84,;-2.66,-5.38,;-3.99,-6.15,;-3.99,-7.7,;-2.66,-8.47,;-5.33,-8.47,;-6.66,-7.7,;-7.99,-8.47,;-6.66,-6.15,;-5.33,-5.38,;-5.33,-3.84,;-2.66,-.78,;-3.99,-1.55,;1.33,1.54,;1.33,3.08,;2.66,3.84,;3.99,3.07,;5.32,3.84,;6.65,3.07,;6.66,1.53,;7.99,.77,;7.99,-.77,;4,1.54,;2.67,.76,)|
Structure:
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